Data quality metrics extracted from 3uve.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "bc68203de2027d30dd3fc73435dd87b2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 97.61,
    "b": 59.44,
    "c": 108.65,
    "alpha": 90.0,
    "beta": 90.1,
    "gamma": 90.0
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.550],
    "number_observations_unique": 161312,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 12.790
      },
      {
        "type": "Completeness",
        "value": 89.300
      },
      {
        "type": "Redundancy",
        "value": 2.72
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.55],
      "number_observations": 29537,
      "number_observations_unique": 12423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.468
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 93.60
        },
        {
          "type": "Redundancy",
          "value": 2.4
        }
      ]
    },
    {
      "resolution_limits": [1.63,1.59],
      "number_observations": 30185,
      "number_observations_unique": 12125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 93.50
        }
      ]
    },
    {
      "resolution_limits": [1.68,1.63],
      "number_observations": 29898,
      "number_observations_unique": 11811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 93.30
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.68],
      "number_observations": 29144,
      "number_observations_unique": 11320,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.293
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Completeness",
          "value": 92.80
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.73],
      "number_observations": 28848,
      "number_observations_unique": 11010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 92.40
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.79],
      "number_observations": 28130,
      "number_observations_unique": 10525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 6.0
        },
        {
          "type": "Completeness",
          "value": 91.70
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.85],
      "number_observations": 27581,
      "number_observations_unique": 10130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 7.7
        },
        {
          "type": "Completeness",
          "value": 91.20
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.92],
      "number_observations": 26597,
      "number_observations_unique": 9651,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 9.6
        },
        {
          "type": "Completeness",
          "value": 90.40
        }
      ]
    },
    {
      "resolution_limits": [2.09,2.00],
      "number_observations": 25502,
      "number_observations_unique": 9200,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 11.5
        },
        {
          "type": "Completeness",
          "value": 89.80
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.09],
      "number_observations": 24530,
      "number_observations_unique": 8744,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 13.8
        },
        {
          "type": "Completeness",
          "value": 89.20
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.19],
      "number_observations": 23270,
      "number_observations_unique": 8209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 16.1
        },
        {
          "type": "Completeness",
          "value": 88.20
        }
      ]
    },
    {
      "resolution_limits": [2.45,2.31],
      "number_observations": 22168,
      "number_observations_unique": 7741,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 18.0
        },
        {
          "type": "Completeness",
          "value": 87.40
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.45],
      "number_observations": 20774,
      "number_observations_unique": 7162,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 20.0
        },
        {
          "type": "Completeness",
          "value": 86.30
        }
      ]
    },
    {
      "resolution_limits": [2.83,2.62],
      "number_observations": 19327,
      "number_observations_unique": 6619,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 22.9
        },
        {
          "type": "Completeness",
          "value": 85.20
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.83],
      "number_observations": 17853,
      "number_observations_unique": 6040,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 26.2
        },
        {
          "type": "Completeness",
          "value": 84.30
        }
      ]
    },
    {
      "resolution_limits": [3.47,3.10],
      "number_observations": 16062,
      "number_observations_unique": 5366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "I/SigI",
          "value": 31.5
        },
        {
          "type": "Completeness",
          "value": 83.10
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.47],
      "number_observations": 14088,
      "number_observations_unique": 4691,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 36.3
        },
        {
          "type": "Completeness",
          "value": 81.80
        }
      ]
    },
    {
      "resolution_limits": [4.90,4.00],
      "number_observations": 12108,
      "number_observations_unique": 3937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 39.8
        },
        {
          "type": "Completeness",
          "value": 80.90
        }
      ]
    },
    {
      "resolution_limits": [6.93,4.90],
      "number_observations": 9304,
      "number_observations_unique": 3004,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 36.8
        },
        {
          "type": "Completeness",
          "value": 79.20
        }
      ]
    },
    {
      "resolution_limits": [50,6.93],
      "number_observations": 4910,
      "number_observations_unique": 1604,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 38.7
        },
        {
          "type": "Completeness",
          "value": 74.30
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):